9-Octadecynoic Acid

HCID 68167CAS 506-24-1

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Basic information

Standard SMILES: CCCCCCCCC#CCCCCCCCC(=O)O
InChIKey: RGTIBVZDHOMOKC-UHFFFAOYSA-N
Molecular formula: C18H32O2
Average molar mass: 280.4 g/mol
Monoisotopic mass: 280.24023026

Overview

Stearolic acid is an octadecynoic acid having its triple bond at position 9.

Names & identifiers

Preferred name: 9-Octadecynoic Acid
IUPAC: octadec-9-ynoic acid
English name: Stearolic acid
Molecular formula: C18H32O2
Molecular weight: 280.45

Names & synonyms

9-Octadecynoic acidStearolic acidOctadec-9-ynoic acid506-24-19-Stearolic acid7M9KFA3WKUCHEBI:28801DTXSID90198647RefChem:185404DTXCID50121138208-030-8MFCD00014386

Show more names

Stearolicacid,98%9-hydroxy-3-methyl-1H-benzo[g]quinoline-2,5,10-trione

Delta(9)-octadecynoic acidCHEMBL482804StearolicacidOctadec-9-insaeureStearolsaeureEINECS 208-030-8Octadeca-9-ynoic acidUNII-7M9KFA3WKU

Database identifiers

CAS: 506-24-1
PubChem CID: 68167
DTXSID: DTXSID90198647
ChEMBL: CHEMBL482804
ChEBI: CHEBI:28801
UNII: 7M9KFA3WKU
EC Number: 208-030-8
Nikkaji: J135.093E

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 13
Heavy atoms: 20
Formal charge: 0
Complexity: 282

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

SpringerMaterials PropertiesMagnetic anisotropy

Physicochemical properties

Melting point: 46 · 46-47°C
Boiling point: 189 · 189-190°C 2mm
Density: 0.9365 · 0.9365 (rough estimate)
refractive index: 1.4283 · 1.4283 (estimate)
Flash point: 189 · 189-190°C/2mm
storage temp.: -20 °C · -20°C
pka: 4.77 · 4.77±0.10(Predicted)
form: Solid
color: White to off-white
Water Solubility: Insoluble in water.
BRN: 1786634 · 1786634
InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
InChIKey: RGTIBVZDHOMOKC-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCCC#CCCCCCCCC
FDA UNII: 7 M9KFA3WKU · 7M9KFA3WKU
NIST Chemistry Reference: 9 · 9-Octadecynoic acid(506-24-1)
Safety Statements: 22 · 22-24/25

Safety & regulation

Hazard information

Regulatory Information9-Octadecynoic acid: Does not have an individual approval but may be used under an appropriate group standard

Safety data

safety_code: 22-24/25

Chemistry & industry

Applications

Uses9-Octadecynoic Acid, is used as an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Upstream & downstream products

Upstream raw materials

9-Octadecyn-1-ol 2H-Pyran, tetrahydro-2-[(8-iodooctyl)oxy]-1-BROMO-8-(TETRAHYDROPYRANYLOXY)OCTANE 1,7-DICHLOROHEPTANE 1-chloro-7-iodoheptane METHYL 9,10-DIBROMOSTEARATE 9,10-DIBROMOSTEARIC ACID 8-Bromo-1-octanol Sodium cyanide Oleic acid

Downstream products

OCTADECANOIC-9,9,10,10-D4 ACID

Suppliers30 total

山东玖玥生物科技有限公司15553333686

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: An octadecynoic acid having its triple bond at position 9.

Related reactions

1 records

New reaction record

HRID 5248As reactantuspto-grants-1993_09

Linked notes

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